N-(3-hydroxy-2-methylpropyl)-N-methylacetamide

C7H15NO2 — CID 126993696

IUPACN-(3-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCC(=O)N(C)CC(C)CO
InChIInChI=1S/C7H15NO2/c1-6(5-9)4-8(3)7(2)10/h6,9H,4-5H2,1-3H3
InChIKeyPDXDERJBUFVJEO-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.09
Rot. Bonds3

About N-(3-hydroxy-2-methylpropyl)-N-methylacetamide

N-(3-hydroxy-2-methylpropyl)-N-methylacetamide (PubChem CID 126993696) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-N-methylacetamide
PubChem CID126993696
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(3-hydroxy-2-methylpropyl)-N-methylacetamide
SMILESCC(=O)N(C)CC(C)CO
InChIInChI=1S/C7H15NO2/c1-6(5-9)4-8(3)7(2)10/h6,9H,4-5H2,1-3H3
InChIKeyPDXDERJBUFVJEO-UHFFFAOYSA-N
XLogP0.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
N-methyl-N-(2-methyl-3-oxobutyl)acetamide
CID 130029247
N-[(2S)-2-[acetyl(methyl)amino]propyl]-N-methylacetamide
CID 99908303
tert-butyl N-(3-hydroxy-2-methylpropyl)-N-methylcarbamate
CID 91279128
N-methyl-N-[(2S)-2-(methylamino)propyl]acetamide
CID 58006956
(2R)-3-(dimethylamino)-2-methylpropan-1-ol;hydrochloride
CID 165448947
N-(2-hydroxybutyl)-N-methylacetamide;methane
CID 158717174
N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N-methyl-N-(2-methylpropyl)-2-oxopropanamide
CID 115175418
N-methyl-N-[[methyl(propan-2-yl)amino]methyl]acetamide
CID 21336479
N-(2-formylbutyl)-N-methylacetamide
CID 12688089
3-(diethylamino)-2-methylpropan-1-ol
CID 159908880

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-N-methylacetamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-N-methylacetamide (CID 126993696) is N-(3-hydroxy-2-methylpropyl)-N-methylacetamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-N-methylacetamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-N-methylacetamide is CC(=O)N(C)CC(C)CO.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-N-methylacetamide?
The InChIKey is PDXDERJBUFVJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(5-9)4-8(3)7(2)10/h6,9H,4-5H2,1-3H3.
What are the key properties of N-(3-hydroxy-2-methylpropyl)-N-methylacetamide?
N-(3-hydroxy-2-methylpropyl)-N-methylacetamide has a molecular weight of 145.20 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-N-methylacetamide is sourced from PubChem (CID 126993696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).